[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-phenylmethoxybenzoate Traditional Name: 3-benzoxybenzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO4/c1-17-13-23(18(2)26(17)21-11-12-21)24(27)16-30-25(28)20-9-6-10-22(14-20)29-15-19-7-4-3-5-8-19/h3-10,13-14,21H,11-12,15-16H2,1-2H3